2-[4-(4-chlorophenyl)-6-methyl-pyrimidin-2-yl]sulfanylethanoate

Systemtic Name: 2-[4-(4-chlorophenyl)-6-methyl-pyrimidin-2-yl]sulfanylethanoate Openeye Name: 2-[4-(4-chlorophenyl)-6-methyl-pyrimidin-2-yl]sulfanylacetate CAS Name: 2-[[4-(4-chlorophenyl)-6-methyl-2-pyrimidinyl]thio]acetate IUPAC Name: 2-[4-(4-chlorophenyl)-6-methylpyrimidin-2-yl]sulfanylacetate Traditional Name: 2-[[4-(4-chlorophenyl)-6-methyl-pyrimidin-2-yl]thio]acetate Formula: C13H10ClN2O2S- MolecularWeight: 293.7487

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC(=C1)C2=CC=C(C=C2)Cl)SCC(=O)[O-]

Isomeric SMILES

CC1=NC(=NC(=C1)C2=CC=C(C=C2)Cl)SCC(=O)[O-]

InChI

InChI=1S/C13H11ClN2O2S/c1-8-6-11(9-2-4-10(14)5-3-9)16-13(15-8)19-7-12(17)18/h2-6H,7H2,1H3,(H,17,18)/p-1